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1-Amino-2-Methylindoline
CAS: 31529-46-1 | C9H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
31529-46-1
Molecular Formula:
C9H12N2
Molecular Weight:
148.20899999999995 g/mol
Names and Synonyms:
1-Amino-2-Methylindoline
2-Methyl-2,3-dihydro-1H-indol-1-amine
2-Methylindolin-1-amine
2-Methyl-2,3-dihydroindol-1-amine
1-Amino-2,3-dihydro-2-methylindole
N-Amino-2-methylindoline
1-Amino-2-methylindoline
2,3-Dihydro-2-methyl-1H-indol-1-amine
Indoline, 1-amino-2-methyl-
1H-Indol-1-amine, 2,3-dihydro-2-methyl-
Identifiers:
SMILES:
CC1Cc2ccccc2N1N
InChI:
InChI=1S/C9H12N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7H,6,10H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 148.21 g/mol | Legacy Database |
| cas-canonical-smile | NN1C=2C=CC=CC2CC1C None | Legacy Database |
| cas-inchi | InChI=1S/C9H12N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7H,6,10H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YELHZVMLYJGTFN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 41 °C None | Legacy Database |
| cas-name | 1-Amino-2-methylindoline None | Legacy Database |
| LogP | 1.3113000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 148.20899999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 148.100048384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.27440000000002 | RDKit |
